Information card for entry 1555454

Structure parameters

• Formula: C62 H84 N8 O2 S2 Si4
• Calculated formula: C62 H84 N8 O2 S2 Si4
• SMILES: n1snc2c(c3c(c(c12)C#C[Si](C(C)C)(C(C)C)C(C)C)nc1C(=O)c2c(C(=O)c1n3)nc1c(c(c3c(c1C#C[Si](C(C)C)(C(C)C)C(C)C)nsn3)C#C[Si](C(C)C)(C(C)C)C(C)C)n2)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Bisthiadiazole-Fused Tetraazapentacenequinone: An Air-Stable Solution-Processable n-Type Organic Semiconductor.
• Authors of publication: Cortizo-Lacalle, Diego; Gozalvez, Cristian; Olano, Mikel; Sun, Xiangnan; Melle-Franco, Manuel; Hueso, Luis E.; Mateo-Alonso, Aurelio
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5902 - 5905
• a: 8.2413 ± 0.0004 Å
• b: 12.7682 ± 0.0006 Å
• c: 15.6926 ± 0.0006 Å
• α: 80.64 ± 0.003°
• β: 82.824 ± 0.003°
• γ: 75.922 ± 0.004°
• Cell volume: 1574.06 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No